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2,3,4-Trimethoxybenzylalkohol
(2,3,4-Trimethoxyphenyl)methanol · RARECHEM AL BD 0024 · 2,3,4-TrimethoxybenzyL · Trimetazidine Impurity D · trimetazidine impurity1140 · TriMetazidine EP IMpurity-D · Trimetazidine Impurity D HCl · 2,3,4-Trimethoxybenzyl alcohol
Identifikatoren & physikalische Daten
| CAS No. | 71989-96-3 |
|---|---|
| Summenformel | C10H14O4 |
| Durchschnittliche Molmasse | 198,22 g/mol |
| Monoisotopische Masse | 198,08920893 g/mol |
| SMILES | COc1ccc(CO)c(OC)c1OC |
| InChIKey | DGJVVEVPKPOLEV-UHFFFAOYSA-N |
| PubChem CID | 123571 |
| EC No. | 276-270-0 |
| DTXSID | DTXSID70992680 |
| Lokaler Name | 2,3,4-Trimethoxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 47,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 162 |
| Siedepunkt | 105 °C/25 mmHg (lit.) |
| Dichte | 1.151 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.532(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol |
| pKa (Säurekonstante) | 13.92±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Clear Colourless to Pale Yellow |
| InChI | 1S/C10H14O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H3 |
| InChIKey | DGJVVEVPKPOLEV-UHFFFAOYSA-N |
| SMILES | COc1ccc(CO)c(OC)c1OC |
| CAS Datenbank | 71989-96-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29094990 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,3,4-Trimethoxybenzyl Alcohol is a trimethoxylated aromatic alcohol. 2,3,4-Trimethoxybenzyl Alcohol is an impurity of the anti-anginal drug Trimetazidine (T795610).